1,3,4-tributyl-2,5-dimethylbenzene

C20H34 — CID 150402952

IUPAC1,3,4-tributyl-2,5-dimethylbenzene
SMILESCCCCc1cc(C)c(CCCC)c(CCCC)c1C
InChIInChI=1S/C20H34/c1-6-9-12-18-15-16(4)19(13-10-7-2)20(17(18)5)14-11-8-3/h15H,6-14H2,1-5H3
InChIKeyHEDQWXGRFQXBKS-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.33
Rot. Bonds9

About 1,3,4-tributyl-2,5-dimethylbenzene

1,3,4-tributyl-2,5-dimethylbenzene (PubChem CID 150402952) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 1,3,4-tributyl-2,5-dimethylbenzene.

Molecular Properties

Compound Name1,3,4-tributyl-2,5-dimethylbenzene
PubChem CID150402952
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name1,3,4-tributyl-2,5-dimethylbenzene
SMILESCCCCc1cc(C)c(CCCC)c(CCCC)c1C
InChIInChI=1S/C20H34/c1-6-9-12-18-15-16(4)19(13-10-7-2)20(17(18)5)14-11-8-3/h15H,6-14H2,1-5H3
InChIKeyHEDQWXGRFQXBKS-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4-tetrabutyl-5-methylbenzene
CID 54311592
4-butyl-3,6-dimethylbenzene-1,2-diol
CID 87874831
4-butyl-2,3,6-trimethylphenol
CID 91610949
1-decyl-2,3,4,5-tetramethylbenzene
CID 150356555
2-butyl-1,3,5-trimethylbenzene
CID 527298
3-butyl-6-methyl-4-pentylbenzene-1,2-diol
CID 87875378
1,2,3,4-tetrabutylbenzene
CID 11220391
5-butyl-2,3,4-trimethylphenol
CID 150949737
1-bromo-4,5-dimethyl-2-pentylbenzene
CID 123510060
5-hexyl-4,7-dimethyl-2,3-dihydro-1H-indene
CID 90895714
1,3,5-tributyl-2,4,6-trimethylbenzene
CID 123628431
5-bromo-4-butyl-2-methylaniline
CID 130538000

Frequently Asked Questions

What is the IUPAC name of 1,3,4-tributyl-2,5-dimethylbenzene?
The IUPAC name of 1,3,4-tributyl-2,5-dimethylbenzene (CID 150402952) is 1,3,4-tributyl-2,5-dimethylbenzene.
What is the SMILES notation for 1,3,4-tributyl-2,5-dimethylbenzene?
The canonical SMILES for 1,3,4-tributyl-2,5-dimethylbenzene is CCCCc1cc(C)c(CCCC)c(CCCC)c1C.
What is the InChIKey of 1,3,4-tributyl-2,5-dimethylbenzene?
The InChIKey is HEDQWXGRFQXBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-6-9-12-18-15-16(4)19(13-10-7-2)20(17(18)5)14-11-8-3/h15H,6-14H2,1-5H3.
What are the key properties of 1,3,4-tributyl-2,5-dimethylbenzene?
1,3,4-tributyl-2,5-dimethylbenzene has a molecular weight of 274.49 g/mol, XLogP of 6.33, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-tributyl-2,5-dimethylbenzene is sourced from PubChem (CID 150402952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).